2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide

C28H24N6O2 — CID 91046169

IUPAC2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(C=Cc5ccccn5)n[nH]c4c3)ccc2C)n(C)n1
InChIInChI=1S/C28H24N6O2/c1-17-7-8-19(15-24(17)30-28(36)26-14-18(2)33-34(26)3)27(35)20-9-11-22-23(31-32-25(22)16-20)12-10-21-6-4-5-13-29-21/h4-16H,1-3H3,(H,30,36)(H,31,32)
InChIKeyBENCNLIUOYEYIQ-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.96
Rot. Bonds6

About 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (PubChem CID 91046169) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
PubChem CID91046169
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Name2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(C=Cc5ccccn5)n[nH]c4c3)ccc2C)n(C)n1
InChIInChI=1S/C28H24N6O2/c1-17-7-8-19(15-24(17)30-28(36)26-14-18(2)33-34(26)3)27(35)20-9-11-22-23(31-32-25(22)16-20)12-10-21-6-4-5-13-29-21/h4-16H,1-3H3,(H,30,36)(H,31,32)
InChIKeyBENCNLIUOYEYIQ-UHFFFAOYSA-N
XLogP4.96
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide (CID 91046169) is 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(=O)c3ccc4c(C=Cc5ccccn5)n[nH]c4c3)ccc2C)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
The InChIKey is BENCNLIUOYEYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-17-7-8-19(15-24(17)30-28(36)26-14-18(2)33-34(26)3)27(35)20-9-11-22-23(31-32-25(22)16-20)12-10-21-6-4-5-13-29-21/h4-16H,1-3H3,(H,30,36)(H,31,32).
What are the key properties of 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 476.54 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-methyl-5-[3-(2-pyridin-2-ylethenyl)-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91046169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).